| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 94443GXS2V |
| EPA CompTox | DTXSID40143985 |
| InChI Key | FOMYYQMPVKGWON-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.09 |
| AlogP | 0.88 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 60.44 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 10153-83-0 |
| NORMAN SUSDAT | |
| FDA SRS | 94443GXS2V |
| PubChem | 82412 |
| ChemSpider | 74374.0 |